4-nonylaniline

• ChemBase ID: 297163
• Molecular Formular: C15H25N
• Molecular Mass: 219.3657
• Monoisotopic Mass: 219.19869981
• SMILES: CCCCCCCCCc1ccc(cc1)N
• Canonical SMILES: CCCCCCCCCc1ccc(cc1)N
• InChI: InChI=1S/C15H25N/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h10-13H,2-9,16H2,1H3
• InChIKey: FDECURPHVMNAKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-nonylaniline
• IUPAC Traditional name: 4-nonylaniline
• Synonyms: 1-Amino-4-n-nonylbenzene; 4-n-Nonylaniline; 4-正壬基苯胺

Database IDs

• CAS Number: 37529-29-6
• MDL Number: MFCD00038370
• PubChem SID: 180682694
• PubChem CID: 142170

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 5.1319427
• LogD (pH = 7.4): 5.213149
• Log P: 5.2142906
• Molar Refractivity: 72.6076 cm^3
• Polarizability: 28.03749 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 144/2mm
• Flash Point: >110°C(230°F)

Safety Information

• European Hazard Symbols: X
• Risk Statements: 21/22
• Safety Statements: 36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H311
• GHS Precautionary statements: P280-P301+P310-P361-P302+P352-P405-P501A

Product Information

• Purity: 98%